507
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAR | sing | 1.51Å | 1.52Å | |
| OAB | CAR | doub | 1.21Å | 1.24Å | |
| CAC | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CAS | sing | 1.40Å | 1.39Å | Aromatic |
| CAE | CAT | doub | 1.40Å | 1.39Å | Aromatic |
| CAF | CAG | doub | 1.36Å | 1.38Å | Aromatic |
| CAF | CAU | sing | 1.41Å | 1.39Å | Aromatic |
| CAG | CAW | sing | 1.41Å | 1.39Å | Aromatic |
| CAH | NAN | sing | 1.33Å | 1.34Å | Aromatic |
| CAH | CAV | doub | 1.38Å | 1.34Å | Aromatic |
| CAI | CAS | doub | 1.40Å | 1.40Å | Aromatic |
| CAI | CAT | sing | 1.39Å | 1.40Å | Aromatic |
| CAJ | CAL | sing | 1.53Å | 1.53Å | |
| CAJ | OAQ | sing | 1.43Å | 1.45Å | |
| CAK | CAM | sing | 1.53Å | 1.53Å | |
| CAK | OAQ | sing | 1.43Å | 1.44Å | |
| CAL | CAX | sing | 1.53Å | 1.54Å | |
| CAM | CAX | sing | 1.53Å | 1.53Å | |
| NAN | CAW | doub | 1.33Å | 1.34Å | Aromatic |
| NAO | CAU | doub | 1.31Å | 1.34Å | Aromatic |
| NAO | NAY | sing | 1.40Å | 1.23Å | Aromatic |
| NAP | CAU | sing | 1.39Å | 1.34Å | |
| NAP | CAX | sing | 1.47Å | 1.47Å | |
| CAR | CAS | sing | 1.47Å | 1.54Å | |
| CAT | CAV | sing | 1.48Å | 1.41Å | Aromatic |
| CAV | NAY | sing | 1.37Å | 1.41Å | Aromatic |
| CAW | NAY | sing | 1.37Å | 1.40Å | Aromatic |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| NAP | HNAP | sing | 0.97Å | 1.00Å | |
| CAX | HAX | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAR | OAB | 120.2° | 120.0° |
| CAA | CAR | CAS | 120.5° | 120.0° |
| CAR | CAA | HAA | 109.5° | 109.5° |
| CAR | CAA | HAAA | 109.5° | 109.5° |
| CAR | CAA | HAAB | 109.5° | 109.5° |
| OAB | CAR | CAS | 119.4° | 120.0° |
| CAD | CAC | CAE | 119.6° | 120.3° |
| CAC | CAD | CAS | 120.4° | 120.2° |
| CAD | CAC | HAC | 120.2° | 119.8° |
| CAC | CAD | HAD | 119.8° | 120.0° |
| CAC | CAE | CAT | 120.9° | 120.2° |
| CAE | CAC | HAC | 120.2° | 119.9° |
| CAC | CAE | HAE | 119.6° | 119.9° |
| CAD | CAS | CAI | 119.6° | 119.8° |
| CAD | CAS | CAR | 117.6° | 120.1° |
| CAS | CAD | HAD | 119.8° | 119.9° |
| CAE | CAT | CAI | 118.8° | 119.9° |
| CAE | CAT | CAV | 117.1° | 120.1° |
| CAT | CAE | HAE | 119.5° | 119.9° |
| CAG | CAF | CAU | 118.6° | 120.1° |
| CAF | CAG | CAW | 117.6° | 119.3° |
| CAG | CAF | HAF | 120.7° | 120.0° |
| CAF | CAG | HAG | 121.2° | 120.4° |
| CAF | CAU | NAO | 120.3° | 120.7° |
| CAF | CAU | NAP | 117.6° | 119.6° |
| CAU | CAF | HAF | 120.7° | 120.0° |
| CAG | CAW | NAN | 132.5° | 132.3° |
| CAG | CAW | NAY | 119.3° | 119.2° |
| CAW | CAG | HAG | 121.2° | 120.4° |
| NAN | CAH | CAV | 110.1° | 108.2° |
| CAH | NAN | CAW | 108.9° | 109.5° |
| NAN | CAH | HAH | 125.0° | 125.9° |
| CAH | CAV | CAT | 126.6° | 126.7° |
| CAH | CAV | NAY | 107.3° | 106.7° |
| CAV | CAH | HAH | 124.9° | 125.9° |
| CAS | CAI | CAT | 120.7° | 119.6° |
| CAI | CAS | CAR | 122.8° | 120.1° |
| CAS | CAI | HAI | 119.6° | 120.1° |
| CAI | CAT | CAV | 124.0° | 120.0° |
| CAT | CAI | HAI | 119.7° | 120.2° |
| CAL | CAJ | OAQ | 110.5° | 109.5° |
| CAJ | CAL | CAX | 110.1° | 109.1° |
| CAL | CAJ | HAJ | 109.2° | 109.5° |
| CAL | CAJ | HAJA | 109.2° | 109.5° |
| CAJ | CAL | HAL | 109.3° | 109.5° |
| CAJ | CAL | HALA | 109.3° | 109.5° |
| CAJ | OAQ | CAK | 113.8° | 114.0° |
| OAQ | CAJ | HAJ | 109.1° | 109.4° |
| OAQ | CAJ | HAJA | 109.1° | 109.5° |
| CAM | CAK | OAQ | 111.4° | 109.4° |
| CAK | CAM | CAX | 108.9° | 109.2° |
| CAM | CAK | HAK | 108.8° | 109.5° |
| CAM | CAK | HAKA | 108.8° | 109.5° |
| CAK | CAM | HAM | 109.7° | 109.5° |
| CAK | CAM | HAMA | 109.7° | 109.6° |
| OAQ | CAK | HAK | 108.9° | 109.5° |
| OAQ | CAK | HAKA | 108.8° | 109.5° |
| CAL | CAX | CAM | 111.6° | 109.0° |
| CAL | CAX | NAP | 109.2° | 109.5° |
| CAX | CAL | HAL | 109.3° | 109.6° |
| CAX | CAL | HALA | 109.3° | 109.5° |
| CAL | CAX | HAX | 109.7° | 109.6° |
| CAM | CAX | NAP | 113.4° | 109.6° |
| CAX | CAM | HAM | 109.7° | 109.5° |
| CAX | CAM | HAMA | 109.7° | 109.5° |
| CAM | CAX | HAX | 105.1° | 109.5° |
| NAN | CAW | NAY | 108.2° | 108.4° |
| CAU | NAO | NAY | 122.6° | 120.6° |
| NAO | CAU | NAP | 121.9° | 119.7° |
| NAO | NAY | CAV | 133.0° | 132.7° |
| NAO | NAY | CAW | 121.6° | 120.1° |
| CAU | NAP | CAX | 129.3° | 120.0° |
| CAU | NAP | HNAP | 103.3° | 120.0° |
| CAX | NAP | HNAP | 103.3° | 120.0° |
| NAP | CAX | HAX | 107.7° | 109.6° |
| CAT | CAV | NAY | 126.0° | 126.6° |
| CAV | NAY | CAW | 105.5° | 107.1° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| HAJ | CAJ | HAJA | 109.8° | 109.4° |
| HAK | CAK | HAKA | 110.1° | 109.5° |
| HAL | CAL | HALA | 109.7° | 109.6° |
| HAM | CAM | HAMA | 109.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAR | OAB | CAS | 179.5° | 180.0° |
| CAA | CAR | CAS | CAD | 178.8° | 0.1° |
| CAA | CAR | CAS | CAI | 0.8° | 179.9° |
| CAR | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAR | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAR | CAA | HAAA | HAAB | 120.0° | 120.0° |
| OAB | CAR | CAS | CAD | 0.7° | 179.9° |
| OAB | CAR | CAS | CAI | 179.7° | 0.1° |
| OAB | CAR | CAA | HAA | 0.0° | 0.0° |
| OAB | CAR | CAA | HAAA | 120.0° | 120.0° |
| OAB | CAR | CAA | HAAB | 120.0° | 120.0° |
| CAD | CAC | CAE | HAC | 180.0° | 179.7° |
| CAC | CAD | CAS | HAD | 180.0° | 179.9° |
| CAD | CAC | CAE | CAT | 0.8° | 0.0° |
| CAC | CAD | CAS | CAI | 0.3° | 0.1° |
| CAC | CAD | CAS | CAR | 180.0° | 180.0° |
| CAD | CAC | CAE | HAE | 179.2° | 180.0° |
| CAE | CAC | CAD | CAS | 0.6° | 0.0° |
| CAC | CAE | CAT | HAE | 180.0° | 180.0° |
| CAC | CAE | CAT | CAI | 0.7° | 0.0° |
| CAC | CAE | CAT | CAV | 179.2° | 179.9° |
| CAE | CAC | CAD | HAD | 179.4° | 179.9° |
| CAD | CAS | CAI | CAR | 179.6° | 179.9° |
| CAD | CAS | CAI | CAT | 0.2° | 0.1° |
| CAS | CAD | CAC | HAC | 179.3° | 179.7° |
| CAD | CAS | CAI | HAI | 179.8° | 180.0° |
| CAE | CAT | CAV | CAH | 49.7° | 180.0° |
| CAE | CAT | CAI | CAS | 0.4° | 0.0° |
| CAE | CAT | CAI | CAV | 178.4° | 179.9° |
| CAE | CAT | CAV | NAY | 128.0° | 0.0° |
| CAT | CAE | CAC | HAC | 179.1° | 179.7° |
| CAE | CAT | CAI | HAI | 179.6° | 180.0° |
| CAG | CAF | CAU | HAF | 180.0° | 179.8° |
| CAF | CAG | CAW | HAG | 180.0° | 179.9° |
| CAF | CAG | CAW | NAN | 179.7° | 180.0° |
| CAG | CAF | CAU | NAO | 1.4° | 0.0° |
| CAG | CAF | CAU | NAP | 177.8° | 180.0° |
| CAF | CAG | CAW | NAY | 1.3° | 0.1° |
| CAU | CAF | CAG | CAW | 1.3° | 0.1° |
| CAF | CAU | NAO | NAP | 176.2° | 180.0° |
| CAF | CAU | NAO | NAY | 1.7° | 0.0° |
| CAF | CAU | NAP | CAX | 138.2° | 180.0° |
| CAU | CAF | CAG | HAG | 178.7° | 180.0° |
| CAF | CAU | NAP | HNAP | 101.8° | 0.1° |
| CAG | CAW | NAN | CAH | 178.7° | 180.0° |
| CAG | CAW | NAN | NAY | 178.5° | 180.0° |
| CAG | CAW | NAY | NAO | 1.6° | 0.0° |
| CAG | CAW | NAY | CAV | 178.9° | 180.0° |
| CAW | CAG | CAF | HAF | 178.7° | 179.7° |
| NAN | CAH | CAV | HAH | 180.0° | 180.0° |
| NAN | CAH | CAV | CAT | 178.0° | 179.9° |
| NAN | CAH | CAV | NAY | 0.0° | 0.0° |
| CAH | NAN | CAW | NAY | 0.2° | 0.0° |
| CAH | CAV | CAT | CAI | 128.7° | 0.1° |
| CAV | CAH | NAN | CAW | 0.1° | 0.0° |
| CAH | CAV | NAY | NAO | 179.5° | 180.0° |
| CAH | CAV | CAT | NAY | 177.6° | 180.0° |
| CAH | CAV | NAY | CAW | 0.1° | 0.0° |
| CAS | CAI | CAT | HAI | 180.0° | 179.9° |
| CAS | CAI | CAT | CAV | 178.8° | 179.9° |
| CAI | CAS | CAD | HAD | 179.7° | 180.0° |
| CAT | CAI | CAS | CAR | 179.8° | 180.0° |
| CAI | CAT | CAV | NAY | 53.7° | 179.9° |
| CAI | CAT | CAE | HAE | 179.3° | 180.0° |
| CAL | CAJ | OAQ | HAJ | 120.0° | 120.0° |
| CAL | CAJ | OAQ | HAJA | 120.0° | 120.1° |
| CAL | CAJ | OAQ | CAK | 48.3° | 61.1° |
| CAJ | CAL | CAX | HAL | 120.0° | 119.9° |
| CAJ | CAL | CAX | HALA | 120.0° | 119.9° |
| CAJ | CAL | CAX | CAM | 60.4° | 57.0° |
| CAJ | CAL | CAX | NAP | 173.4° | 176.8° |
| CAL | CAJ | HAJ | HAJA | 119.6° | 120.0° |
| CAJ | CAL | HAL | HALA | 119.8° | 120.1° |
| CAJ | CAL | CAX | HAX | 55.6° | 62.9° |
| CAJ | OAQ | CAK | CAM | 66.8° | 61.1° |
| OAQ | CAJ | CAL | CAX | 14.0° | 57.6° |
| OAQ | CAJ | HAJ | HAJA | 119.6° | 120.0° |
| CAJ | OAQ | CAK | HAK | 173.2° | 58.9° |
| CAJ | OAQ | CAK | HAKA | 53.2° | 178.9° |
| OAQ | CAJ | CAL | HAL | 134.1° | 177.6° |
| OAQ | CAJ | CAL | HALA | 106.0° | 62.3° |
| CAM | CAK | OAQ | HAK | 120.0° | 120.0° |
| CAM | CAK | OAQ | HAKA | 120.0° | 120.0° |
| CAK | CAM | CAX | CAL | 43.0° | 57.0° |
| CAK | CAM | CAX | HAM | 120.0° | 119.9° |
| CAK | CAM | CAX | HAMA | 120.0° | 120.0° |
| CAK | CAM | CAX | NAP | 166.9° | 176.8° |
| CAM | CAK | HAK | HAKA | 119.2° | 120.0° |
| CAK | CAM | HAM | HAMA | 120.2° | 120.2° |
| CAK | CAM | CAX | HAX | 75.7° | 62.9° |
| OAQ | CAK | CAM | CAX | 16.6° | 57.6° |
| CAK | OAQ | CAJ | HAJ | 71.7° | 178.9° |
| CAK | OAQ | CAJ | HAJA | 168.4° | 58.9° |
| OAQ | CAK | HAK | HAKA | 119.2° | 120.0° |
| OAQ | CAK | CAM | HAM | 136.6° | 62.3° |
| OAQ | CAK | CAM | HAMA | 103.4° | 177.5° |
| CAL | CAX | CAM | NAP | 123.9° | 119.8° |
| CAL | CAX | CAM | HAX | 118.8° | 119.9° |
| CAL | CAX | NAP | CAU | 134.8° | 155.0° |
| CAL | CAX | NAP | HAX | 119.0° | 120.2° |
| CAX | CAL | CAJ | HAJ | 134.1° | 177.6° |
| CAX | CAL | CAJ | HAJA | 106.0° | 62.4° |
| CAX | CAL | HAL | HALA | 119.7° | 120.2° |
| CAL | CAX | CAM | HAM | 77.0° | 63.0° |
| CAL | CAX | CAM | HAMA | 163.0° | 177.0° |
| CAL | CAX | NAP | HNAP | 14.8° | 25.1° |
| CAM | CAX | NAP | CAU | 9.6° | 85.4° |
| CAM | CAX | NAP | HAX | 115.9° | 120.2° |
| CAX | CAM | CAK | HAK | 136.6° | 62.4° |
| CAX | CAM | CAK | HAKA | 103.4° | 177.6° |
| CAM | CAX | CAL | HAL | 179.5° | 176.9° |
| CAM | CAX | CAL | HALA | 59.6° | 62.9° |
| CAX | CAM | HAM | HAMA | 120.2° | 120.1° |
| CAM | CAX | NAP | HNAP | 110.4° | 94.5° |
| NAN | CAW | NAY | NAO | 179.7° | 180.0° |
| NAN | CAW | NAY | CAV | 0.1° | 0.0° |
| NAN | CAW | CAG | HAG | 0.3° | 0.0° |
| CAW | NAN | CAH | HAH | 179.9° | 179.9° |
| NAO | CAU | NAP | CAX | 45.4° | 0.0° |
| CAU | NAO | NAY | CAV | 178.9° | 180.0° |
| CAU | NAO | NAY | CAW | 1.7° | 0.0° |
| NAO | CAU | CAF | HAF | 178.6° | 179.8° |
| NAO | CAU | NAP | HNAP | 74.5° | 179.9° |
| NAY | NAO | CAU | NAP | 177.9° | 180.0° |
| NAO | NAY | CAV | CAT | 1.5° | 0.0° |
| NAO | NAY | CAV | CAW | 179.5° | 180.0° |
| CAU | NAP | CAX | HNAP | 120.0° | 179.9° |
| NAP | CAU | CAF | HAF | 2.2° | 0.2° |
| CAU | NAP | CAX | HAX | 106.2° | 34.8° |
| NAP | CAX | CAL | HAL | 53.3° | 63.2° |
| NAP | CAX | CAL | HALA | 66.7° | 57.0° |
| NAP | CAX | CAM | HAM | 46.9° | 56.9° |
| NAP | CAX | CAM | HAMA | 73.1° | 63.2° |
| CAS | CAR | CAA | HAA | 179.5° | 180.0° |
| CAS | CAR | CAA | HAAA | 60.5° | 60.0° |
| CAS | CAR | CAA | HAAB | 59.5° | 60.0° |
| CAR | CAS | CAD | HAD | 0.0° | 0.1° |
| CAR | CAS | CAI | HAI | 0.2° | 0.1° |
| CAT | CAV | NAY | CAW | 178.0° | 179.9° |
| CAV | CAT | CAE | HAE | 0.8° | 0.1° |
| CAT | CAV | CAH | HAH | 2.0° | 0.1° |
| CAV | CAT | CAI | HAI | 1.2° | 0.1° |
| NAY | CAV | CAH | HAH | 180.0° | 179.9° |
| NAY | CAW | CAG | HAG | 178.7° | 180.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAC | CAC | CAD | HAD | 0.7° | 0.2° |
| HAC | CAC | CAE | HAE | 0.9° | 0.3° |
| HAF | CAF | CAG | HAG | 1.3° | 0.2° |
| HAJ | CAJ | CAL | HAL | 105.9° | 62.5° |
| HAJ | CAJ | CAL | HALA | 14.1° | 57.7° |
| HAJA | CAJ | CAL | HAL | 14.1° | 57.5° |
| HAJA | CAJ | CAL | HALA | 134.0° | 177.7° |
| HAK | CAK | CAM | HAM | 103.4° | 177.7° |
| HAK | CAK | CAM | HAMA | 16.6° | 57.5° |
| HAKA | CAK | CAM | HAM | 16.6° | 57.7° |
| HAKA | CAK | CAM | HAMA | 136.6° | 62.5° |
| HAL | CAL | CAX | HAX | 64.4° | 57.0° |
| HALA | CAL | CAX | HAX | 175.6° | 177.2° |
| HAM | CAM | CAX | HAX | 164.3° | 177.1° |
| HAMA | CAM | CAX | HAX | 44.3° | 57.0° |
| HNAP | NAP | CAX | HAX | 133.8° | 145.3° |
